Crystallography Open Database

Information card for entry 7707800

Preview

Coordinates	7707800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H98 N18 O32 Zn4
Calculated formula	C100 H72 N16 O24 Zn4
Title of publication	Two new calix[4]resorcinarene-based coordination cages adjusted by metal ions for the Knoevenagel condensation reaction.
Authors of publication	Pei, Wen-Yuan; Lu, Bing-Bing; Yang, Jin; Wang, Tianqi; Ma, Jian-Fang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	28
Pages of publication	9942 - 9948
a	14.8537 ± 0.0007 Å
b	22.6867 ± 0.0011 Å
c	20.3744 ± 0.0012 Å
α	90°
β	96.555 ± 0.006°
γ	90°
Cell volume	6820.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1264
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268720 (current)	2021-09-06	cif/ Updating files of 7707800, 7707801 Original log message: Adding full bibliography for 7707800--7707801.cif.	7707800.cif
267262	2021-07-06	cif/ Adding structures of 7707800, 7707801 via cif-deposit CGI script.	7707800.cif